1-(1-propan-2-ylpyrazol-3-yl)ethenol

C8H12N2O — CID 170024820

IUPAC1-(1-propan-2-ylpyrazol-3-yl)ethenol
SMILESC=C(O)c1ccn(C(C)C)n1
InChIInChI=1S/C8H12N2O/c1-6(2)10-5-4-8(9-10)7(3)11/h4-6,11H,3H2,1-2H3
InChIKeyDLDCTWIGJJJJGL-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.99
Rot. Bonds2

About 1-(1-propan-2-ylpyrazol-3-yl)ethenol

1-(1-propan-2-ylpyrazol-3-yl)ethenol (PubChem CID 170024820) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrazol-3-yl)ethenol.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrazol-3-yl)ethenol
PubChem CID170024820
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(1-propan-2-ylpyrazol-3-yl)ethenol
SMILESC=C(O)c1ccn(C(C)C)n1
InChIInChI=1S/C8H12N2O/c1-6(2)10-5-4-8(9-10)7(3)11/h4-6,11H,3H2,1-2H3
InChIKeyDLDCTWIGJJJJGL-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-(1-propan-2-ylpyrazol-3-yl)ethenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)ethenol?
The IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)ethenol (CID 170024820) is 1-(1-propan-2-ylpyrazol-3-yl)ethenol.
What is the SMILES notation for 1-(1-propan-2-ylpyrazol-3-yl)ethenol?
The canonical SMILES for 1-(1-propan-2-ylpyrazol-3-yl)ethenol is C=C(O)c1ccn(C(C)C)n1.
What is the InChIKey of 1-(1-propan-2-ylpyrazol-3-yl)ethenol?
The InChIKey is DLDCTWIGJJJJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)10-5-4-8(9-10)7(3)11/h4-6,11H,3H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylpyrazol-3-yl)ethenol?
1-(1-propan-2-ylpyrazol-3-yl)ethenol has a molecular weight of 152.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrazol-3-yl)ethenol is sourced from PubChem (CID 170024820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).